Molecule

ID:90262

General Information
Structure
Molecular Formula
C₂₃H₂₆O₂
Molecular Mass
334.45134
Exact Mass
334.19328007
Charge
0
InChI
InChI=1S/C23H26O2/c1-22(2,3)17-12-16-13-18(15-10-8-7-9-11-15)21(24)25-20(16)19(14-17)23(4,5)6/h7-14H,1-6H3
InChIKey
COTMKLHVBITMAZ-UHFFFAOYSA-N
Canonic Smiles
O=c1oc2c(cc1c1ccccc1)cc(cc2C(C)(C)C)C(C)(C)C
Isomeric Smiles
o1c2c(cc(cc2cc(c1=O)c1ccccc1)C(C)(C)C)C(C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.54156
LogD (pH = 7.4)
6.54156
Log P
6.54156
Molar Refractivity
103.3325
Polarizability
39.978413
Polar Surface Area
26.3
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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